# generated using pymatgen data_PrSc6Co6Sn23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.55644585 _cell_length_b 9.55644570 _cell_length_c 9.65509159 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000053 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrSc6Co6Sn23 _chemical_formula_sum 'Pr1 Sc6 Co6 Sn23' _cell_volume 763.62445327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pr Pr0 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc1 1 0.51711945 0.48288055 0.69155486 1.0 Sc Sc2 1 0.51711945 0.03423689 0.69155486 1.0 Sc Sc3 1 0.96576311 0.48288055 0.69155486 1.0 Sc Sc4 1 0.03423689 0.51711945 0.30844514 1.0 Sc Sc5 1 0.48288055 0.96576311 0.30844514 1.0 Sc Sc6 1 0.48288055 0.51711945 0.30844514 1.0 Co Co7 1 0.17003815 0.82996185 0.79975826 1.0 Co Co8 1 0.17003815 0.34007730 0.79975826 1.0 Co Co9 1 0.65992270 0.82996185 0.79975826 1.0 Co Co10 1 0.34007730 0.17003815 0.20024174 1.0 Co Co11 1 0.82996185 0.65992270 0.20024174 1.0 Co Co12 1 0.82996185 0.17003815 0.20024174 1.0 Sn Sn13 1 0.66666700 0.33333300 0.17310943 1.0 Sn Sn14 1 0.66666700 0.33333300 0.86655927 1.0 Sn Sn15 1 0.33333300 0.66666700 0.13344073 1.0 Sn Sn16 1 0.34981714 0.34981714 0.00000000 1.0 Sn Sn17 1 1.00000000 0.65018286 0.00000000 1.0 Sn Sn18 1 0.65018286 0.00000000 0.00000000 1.0 Sn Sn19 1 0.65018286 0.65018286 0.00000000 1.0 Sn Sn20 1 0.33333300 0.66666700 0.82689057 1.0 Sn Sn21 1 0.44308546 0.22154323 0.45470387 1.0 Sn Sn22 1 0.22154323 0.77845677 0.54529613 1.0 Sn Sn23 1 0.22154323 0.44308546 0.54529613 1.0 Sn Sn24 1 0.55691454 0.77845677 0.54529613 1.0 Sn Sn25 1 0.12146641 0.87853359 0.27961492 1.0 Sn Sn26 1 0.77845677 0.55691454 0.45470387 1.0 Sn Sn27 1 0.77845677 0.22154323 0.45470387 1.0 Sn Sn28 1 0.34981714 0.00000000 0.00000000 1.0 Sn Sn29 1 0.12146641 0.24293083 0.27961492 1.0 Sn Sn30 1 0.75706917 0.87853359 0.27961492 1.0 Sn Sn31 1 0.24293083 0.12146641 0.72038508 1.0 Sn Sn32 1 0.87853359 0.75706917 0.72038508 1.0 Sn Sn33 1 0.87853359 0.12146641 0.72038508 1.0 Sn Sn34 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn35 1 0.00000000 0.34981714 0.00000000 1.0